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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19NO4
Molecular Weight 325.3585
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISODOMESTICINE, (+)-

SMILES

COC1=C2C3=C(C[C@@H]4N(C)CCC(C=C1O)=C24)C=C5OCOC5=C3

InChI

InChIKey=OGJUMNZGTZWIBO-ZDUSSCGKSA-N
InChI=1S/C19H19NO4/c1-20-4-3-10-6-14(21)19(22-2)18-12-8-16-15(23-9-24-16)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H19NO4
Molecular Weight 325.3585
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:12:12 GMT 2025
Edited
by admin
on Mon Mar 31 20:12:12 GMT 2025
Record UNII
GQ2Y6D6K6L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-ISODOMESTICINE
Preferred Name English
ISODOMESTICINE, (+)-
Common Name English
ISODOMESTICINE
Common Name English
(+)-1-METHOXY-2-HYDROXY-9,10-METHYLENEDIOXYAPORPHINE
Systematic Name English
4H-BENZO(DE)(1,3)BENZODIOXOLO(5,6-G)QUINOLIN-2-OL, 5,6,6A,7-TETRAHYDRO-1-METHOXY-6-METHYL-, (6AS)-
Systematic Name English
4H-BENZO(DE)(1,3)BENZODIOXOLO(5,6-G)QUINOLIN-2-OL, 5,6,6A,7-TETRAHYDRO-1-METHOXY-6-METHYL-, (S)-
Systematic Name English
9,10-METHYLENEDIOXY-2-HYDROXY-1-METHOXYNORAPORPHINE
Systematic Name English
2-HYDROXY-1-METHOXY-9,10-METHYLENEDIOXY-NORAPORPHINE
Systematic Name English
1-METHOXY-2-HYDROXY-9,10-METHYLENEDIOXY-NORAPORPHINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701118695
Created by admin on Mon Mar 31 20:12:12 GMT 2025 , Edited by admin on Mon Mar 31 20:12:12 GMT 2025
PRIMARY
PUBCHEM
15690954
Created by admin on Mon Mar 31 20:12:12 GMT 2025 , Edited by admin on Mon Mar 31 20:12:12 GMT 2025
PRIMARY
FDA UNII
GQ2Y6D6K6L
Created by admin on Mon Mar 31 20:12:12 GMT 2025 , Edited by admin on Mon Mar 31 20:12:12 GMT 2025
PRIMARY
CAS
70560-83-7
Created by admin on Mon Mar 31 20:12:12 GMT 2025 , Edited by admin on Mon Mar 31 20:12:12 GMT 2025
PRIMARY